2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide

C15H21FN2O3 — CID 155983055

IUPAC2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(Cc2ccc(F)cc2)(C(=O)NCCO)C1
InChIInChI=1S/C15H21FN2O3/c1-18-7-9-21-15(11-18,14(20)17-6-8-19)10-12-2-4-13(16)5-3-12/h2-5,19H,6-11H2,1H3,(H,17,20)
InChIKeyGRUKRNCXHGSZNL-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.18
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide

2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide (PubChem CID 155983055) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide
PubChem CID155983055
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(Cc2ccc(F)cc2)(C(=O)NCCO)C1
InChIInChI=1S/C15H21FN2O3/c1-18-7-9-21-15(11-18,14(20)17-6-8-19)10-12-2-4-13(16)5-3-12/h2-5,19H,6-11H2,1H3,(H,17,20)
InChIKeyGRUKRNCXHGSZNL-UHFFFAOYSA-N
XLogP0.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide (CID 155983055) is 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide is CN1CCOC(Cc2ccc(F)cc2)(C(=O)NCCO)C1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide?
The InChIKey is GRUKRNCXHGSZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-18-7-9-21-15(11-18,14(20)17-6-8-19)10-12-2-4-13(16)5-3-12/h2-5,19H,6-11H2,1H3,(H,17,20).
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide?
2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide has a molecular weight of 296.34 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 155983055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).